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- ChemComp-HDU: N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: HDU
NameName: N-[4-(2-methylimidazo[1,2-A]pyridin-3-yl)-2-pyrimidinyl]acetamide

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Chemical information

Composition
Formula: C14H13N5O / Number of atoms: 33 / Formula weight: 267.286 / Formal charge: 0
Others

1oiq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HDU / Model coordinates PDB-ID: 1OIQ
History
Create componentJun 24, 2003
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(Nc1nccc(n1)c2c(nc3ccccn23)C)C
CACTVS 3.341CC(=O)Nc1nccc(n1)c2n3ccccc3nc2C
OpenEye OEToolkits 1.5.0Cc1c(n2ccccc2n1)c3ccnc(n3)NC(=O)C

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SMILES CANONICAL

CACTVS 3.341CC(=O)Nc1nccc(n1)c2n3ccccc3nc2C
OpenEye OEToolkits 1.5.0Cc1c(n2ccccc2n1)c3ccnc(n3)NC(=O)C

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InChI

InChI 1.03InChI=1S/C14H13N5O/c1-9-13(19-8-4-3-5-12(19)16-9)11-6-7-15-14(18-11)17-10(2)20/h3-8H,1-2H3,(H,15,17,18,20)

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InChIKey

InChI 1.03ZCRPPLDDHBLUES-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]acetamide
OpenEye OEToolkits 1.5.0N-[4-(2-methylimidazo[3,2-a]pyridin-3-yl)pyrimidin-2-yl]ethanamide

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PDB entries

Showing all 1 items

PDB-1oiq:
Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation

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